(2,5-dioxopyrrolidin-1-yl) 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyridine-3-carboxylate

C15H18N4O6 — CID 15343047

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)NNc1ccc(C(=O)ON2C(=O)CCC2=O)cn1
InChIInChI=1S/C15H18N4O6/c1-15(2,3)24-14(23)18-17-10-5-4-9(8-16-10)13(22)25-19-11(20)6-7-12(19)21/h4-5,8H,6-7H2,1-3H3,(H,16,17)(H,18,23)
InChIKeyPHWZJVJAIAVOAP-UHFFFAOYSA-N
MW350.33 g/mol
LogP1.15
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyridine-3-carboxylate

(2,5-dioxopyrrolidin-1-yl) 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyridine-3-carboxylate (PubChem CID 15343047) has the molecular formula C15H18N4O6 and a molecular weight of 350.33 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyridine-3-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyridine-3-carboxylate
PubChem CID15343047
Molecular FormulaC15H18N4O6
Molecular Weight350.33 g/mol
Exact Mass350.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)NNc1ccc(C(=O)ON2C(=O)CCC2=O)cn1
InChIInChI=1S/C15H18N4O6/c1-15(2,3)24-14(23)18-17-10-5-4-9(8-16-10)13(22)25-19-11(20)6-7-12(19)21/h4-5,8H,6-7H2,1-3H3,(H,16,17)(H,18,23)
InChIKeyPHWZJVJAIAVOAP-UHFFFAOYSA-N
XLogP1.15
TPSA126.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyridine-3-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyridine-3-carboxylate (CID 15343047) is (2,5-dioxopyrrolidin-1-yl) 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyridine-3-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyridine-3-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyridine-3-carboxylate is CC(C)(C)OC(=O)NNc1ccc(C(=O)ON2C(=O)CCC2=O)cn1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyridine-3-carboxylate?
The InChIKey is PHWZJVJAIAVOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O6/c1-15(2,3)24-14(23)18-17-10-5-4-9(8-16-10)13(22)25-19-11(20)6-7-12(19)21/h4-5,8H,6-7H2,1-3H3,(H,16,17)(H,18,23).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyridine-3-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyridine-3-carboxylate has a molecular weight of 350.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyridine-3-carboxylate is sourced from PubChem (CID 15343047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).